2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol

C29H30F2O — CID 166006395

IUPAC2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol
SMILESCC(C)(C)c1cc(-c2ccccc2C2=Cc3c(F)ccc(F)c3C2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C29H30F2O/c1-28(2,3)18-15-23(27(32)24(16-18)29(4,5)6)20-10-8-7-9-19(20)17-13-21-22(14-17)26(31)12-11-25(21)30/h7-13,15-16,32H,14H2,1-6H3
InChIKeyAPTQARZXIGVBNL-UHFFFAOYSA-N
MW432.55 g/mol
LogP8.03
Rot. Bonds2

About 2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol

2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol (PubChem CID 166006395) has the molecular formula C29H30F2O and a molecular weight of 432.55 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol
PubChem CID166006395
Molecular FormulaC29H30F2O
Molecular Weight432.55 g/mol
Exact Mass432.23
IUPAC Name2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol
SMILESCC(C)(C)c1cc(-c2ccccc2C2=Cc3c(F)ccc(F)c3C2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C29H30F2O/c1-28(2,3)18-15-23(27(32)24(16-18)29(4,5)6)20-10-8-7-9-19(20)17-13-21-22(14-17)26(31)12-11-25(21)30/h7-13,15-16,32H,14H2,1-6H3
InChIKeyAPTQARZXIGVBNL-UHFFFAOYSA-N
XLogP8.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol
CID 136790275
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
4-tert-butyl-2-[5-tert-butyl-2-hydroxy-3-[hydroxy(diphenyl)methyl]phenyl]-6-[hydroxy(diphenyl)methyl]phenol
CID 122373316
1,3-ditert-butyl-9H-fluorene
CID 175163483
CID 102194577
CID 102194577
2,4-ditert-butyl-6-thiophen-2-ylphenol
CID 89393414
3-(3,5-ditert-butyl-2-hydroxyphenyl)chromen-2-one
CID 10405622
2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol
CID 136669231
2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 135981466
carbanide;2,4-ditert-butyl-6-[2-(4,7-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)phenyl]phenol;dichlorotitanium
CID 166006375
4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene
CID 58049398
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol (CID 166006395) is 2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol is CC(C)(C)c1cc(-c2ccccc2C2=Cc3c(F)ccc(F)c3C2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol?
The InChIKey is APTQARZXIGVBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2O/c1-28(2,3)18-15-23(27(32)24(16-18)29(4,5)6)20-10-8-7-9-19(20)17-13-21-22(14-17)26(31)12-11-25(21)30/h7-13,15-16,32H,14H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol?
2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol has a molecular weight of 432.55 g/mol, XLogP of 8.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol is sourced from PubChem (CID 166006395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).